Molecule Details
| InChIKey | ICUTUKXCWQYESQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Triclocarban |
| Canonical SMILES | O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.97 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11155 |
|---|---|
| Drug Name | Triclocarban |
| CAS Number | 101-20-2 |
| Groups | approved |
| ATC Codes | nan |
| Description | Triclocarban, with the chemical formula C13H9Cl3N2O [L2675] is an antibacterial agent that is particularly effective against Gram-positive bacteria such as *Staphylococcus aureus*. It is a bacteriostatic compound that has been found in antibacterial soaps and other personal care products. In 2017, t... |
Categories: Amides Amines Anilides Aniline Compounds Anti-Infective Agents Anti-Infective Agents, Local Benzene Derivatives Environmental Pollutants Miscellaneous Local Anti-infectives Phenylurea Compounds Toxic Actions Water Pollutants Water Pollutants, Chemical
Cross-references: BindingDB: 25730 ChEBI: 48347 CHEMBL1076347 ChemSpider: 7266 Drugs Product Database (DPD): 7076 D06223 PDB: 9EG PubChem:7547 PubChem:347827924 RxCUI: 38609 Wikipedia: Triclocarban ZINC: ZINC000000121480
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P34913 | EPHX2 | Homo sapiens | Human | PF00561 PF00702 | 7.9 | IC50 | ChEMBL;BindingDB |
| P07099 | EPHX1 | Homo sapiens | Human | PF00561 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q96P20 | NLRP3 | Homo sapiens | Human | PF14484 PF13516 PF05729 PF17776 PF02758 PF17779 | 6.1 | IC50 | ChEMBL;BindingDB |